C215H350N4O27S — CID 160602191
1,9-bis(3,5-ditert-butyl-4-hydroxyphenyl)-5,5-bis[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]nonane-3,7-dione;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]sulfanylbutan-2-one;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) acetate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxodecanoate (PubChem CID 160602191) has the molecular formula C215H350N4O27S and a molecular weight of 3455.23 g/mol. Its IUPAC name is 1,9-bis(3,5-ditert-butyl-4-hydroxyphenyl)-5,5-bis[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]nonane-3,7-dione;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]sulfanylbutan-2-one;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) acetate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxodecanoate.
| Compound Name | 1,9-bis(3,5-ditert-butyl-4-hydroxyphenyl)-5,5-bis[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]nonane-3,7-dione;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]sulfanylbutan-2-one;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) acetate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxodecanoate |
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| PubChem CID | 160602191 |
| Molecular Formula | C215H350N4O27S |
| Molecular Weight | 3455.23 g/mol |
| Exact Mass | 3452.59 |
| IUPAC Name | 1,9-bis(3,5-ditert-butyl-4-hydroxyphenyl)-5,5-bis[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]nonane-3,7-dione;bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate;4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxobutyl]sulfanylbutan-2-one;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) acetate;(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 10-oxodecanoate |
| SMILES | CC(C)(C)c1cc(CCC(=O)CC(CC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(CC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)CSCC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.CCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC=O)CC1(C)C.CCCCCCCCON1C(C)(C)CC(OC(C)=O)CC1(C)C.COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
| InChI | InChI=1S/C73H108O8.C42H72N2O5.C36H54O4S.C27H51NO4.C19H37NO3.C18H28O3/c1-65(2,3)53-33-45(34-54(61(53)78)66(4,5)6)25-29-49(74)41-73(42-50(75)30-26-46-35-55(67(7,8)9)62(79)56(36-46)68(10,11)12,43-51(76)31-27-47-37-57(69(13,14)15)63(80)58(38-47)70(16,17)18)44-52(77)32-28-48-39-59(71(19,20)21)64(81)60(40-48)72(22,23)24;1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7;1-33(2,3)27-17-23(18-28(31(27)39)34(4,5)6)13-15-25(37)21-41-22-26(38)16-14-24-19-29(35(7,8)9)32(40)30(20-24)36(10,11)12;1-6-7-8-9-15-18-21-31-28-26(2,3)22-24(23-27(28,4)5)32-25(30)19-16-13-11-10-12-14-17-20-29;1-7-8-9-10-11-12-13-22-20-18(3,4)14-17(23-16(2)21)15-19(20,5)6;1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h33-40,78-81H,25-32,41-44H2,1-24H3;21-22,29-30,45H,18-20,23-27H2,1-17H3;17-20,39-40H,13-16,21-22H2,1-12H3;20,24H,6-19,21-23H2,1-5H3;17H,7-15H2,1-6H3;10-11,20H,8-9H2,1-7H3 |
| InChIKey | REKPRTGCHOEJOK-UHFFFAOYSA-N |
| XLogP | 51.48 |
| TPSA | 444.25 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 247 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3455.23 |
| LogP ≤ 5 | 51.48 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'} |
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